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Selected Topics of the Theory of Chemical Elementary Processes

  • Evgueni E. Nikitin
  • Lutz Zülicke

Part of the Lecture Notes in Chemistry book series (LNC, volume 8)

Table of contents

  1. Front Matter
    Pages I-IX
  2. Evgueni E. Nikitin, Lutz Zülicke
    Pages 1-5
  3. Evgueni E. Nikitin, Lutz Zülicke
    Pages 6-31
  4. Back Matter
    Pages 161-175

About this book

Introduction

Introduction 1 1. 2. Basic Concepts and Phenomenological Description 6 2.1. Separation of the Center-of-Mass Motion 8 2.2. Separation of Electronic and Nuclear Motions. Interaction Potentials (Potential-Energy Surfaces) 11 2.2.1. Heuristic Considerations 11 2.2.2. Born-Oppenheimer Separation. Adiabatic Approximation, 16 Present State of Potential-Energy-Burface 2.2.3. Calculations 23 2.3. Scattering Channels ~6 2.4. Classification of Elementary Processes. Microscopic Mechanism 27 D.ynamics of Atomic and Molecular Collisions: 3. Electronically Adiabatic Processes 32 Classical Approach 3.1. 33 Some Arguments for the Reliability of the Classical Approach 33 Atom-Atom Collisions. Elastic Scattering 34 Quasiclassical Treatment of Elementary Processes in Triatomic Systems: Inelastic and Reactive Scattering 44 IV Examples of Results of Trajectory Calculations 59 3.1.4. 64 Elements of Quantum-Mechanical Methods 3.2. Correspondence of Classical and Quantum­ 3.2.1. 64 Mechanical Theories Time-Dependent Scattering Theory 71 3.2.2. Stationary Scattering Theory 77 3.2.3. One-Dimensional Scattering 78 3.2.3.1 • Three-Dimensional Elastic Scattering 83 3.2.3.2. Rearrangement Scattering (Reactions) 85 3.2.3.3. Examples of Quantum-Mechanical Calculations 3.2.4.

Keywords

Atom Chemische Reaktion Molekularer Stoss Quantenchemie action potential chemical reaction classification collision dynamics elastic scattering energy quantum chemistry reactions scattering theory symmetry

Authors and affiliations

  • Evgueni E. Nikitin
    • 1
  • Lutz Zülicke
    • 2
  1. 1.Institute of Chemical PhysicsAcademy of Sciences of U.S.S.R.MoscowU.S.S.R.
  2. 2.Central Institute of Physical ChemistryAcademy of Sciences of G.D.R.Berlin-AdlershofG.D.R.

Bibliographic information

  • DOI https://doi.org/10.1007/978-3-642-93087-4
  • Copyright Information Springer-Verlag Berlin Heidelberg 1978
  • Publisher Name Springer, Berlin, Heidelberg
  • eBook Packages Springer Book Archive
  • Print ISBN 978-3-540-08768-7
  • Online ISBN 978-3-642-93087-4
  • Series Print ISSN 0342-4901
  • Buy this book on publisher's site
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